(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C13H18ClN5O2 — CID 95552052

IUPAC(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C)c1noc(CN(C)C(=O)[C@H](C)n2cc(Cl)cn2)n1
InChIInChI=1S/C13H18ClN5O2/c1-8(2)12-16-11(21-17-12)7-18(4)13(20)9(3)19-6-10(14)5-15-19/h5-6,8-9H,7H2,1-4H3/t9-/m0/s1
InChIKeyZTIXTSAGUJXBRE-VIFPVBQESA-N
MW311.77 g/mol
LogP2.26
Rot. Bonds5

About (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 95552052) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID95552052
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C)c1noc(CN(C)C(=O)[C@H](C)n2cc(Cl)cn2)n1
InChIInChI=1S/C13H18ClN5O2/c1-8(2)12-16-11(21-17-12)7-18(4)13(20)9(3)19-6-10(14)5-15-19/h5-6,8-9H,7H2,1-4H3/t9-/m0/s1
InChIKeyZTIXTSAGUJXBRE-VIFPVBQESA-N
XLogP2.26
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 95552052) is (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC(C)c1noc(CN(C)C(=O)[C@H](C)n2cc(Cl)cn2)n1.
What is the InChIKey of (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is ZTIXTSAGUJXBRE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-8(2)12-16-11(21-17-12)7-18(4)13(20)9(3)19-6-10(14)5-15-19/h5-6,8-9H,7H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 311.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 95552052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).